[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

C17H20N6OS — CID 127764086

IUPAC[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C2CCN(C(=O)c3cnc(-c4cnn(C)c4)s3)CC2)n[nH]1
InChIInChI=1S/C17H20N6OS/c1-11-7-14(21-20-11)12-3-5-23(6-4-12)17(24)15-9-18-16(25-15)13-8-19-22(2)10-13/h7-10,12H,3-6H2,1-2H3,(H,20,21)
InChIKeyOWSIUIWZSREQGQ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.59
Rot. Bonds3

About [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 127764086) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
PubChem CID127764086
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C2CCN(C(=O)c3cnc(-c4cnn(C)c4)s3)CC2)n[nH]1
InChIInChI=1S/C17H20N6OS/c1-11-7-14(21-20-11)12-3-5-23(6-4-12)17(24)15-9-18-16(25-15)13-8-19-22(2)10-13/h7-10,12H,3-6H2,1-2H3,(H,20,21)
InChIKeyOWSIUIWZSREQGQ-UHFFFAOYSA-N
XLogP2.59
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 56788126
[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127310888
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 124684814
5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 136530966
(6-bromo-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 75399829
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 96503107
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120806956
(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 136567893
[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310827
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310921

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (CID 127764086) is [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is Cc1cc(C2CCN(C(=O)c3cnc(-c4cnn(C)c4)s3)CC2)n[nH]1.
What is the InChIKey of [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is OWSIUIWZSREQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-7-14(21-20-11)12-3-5-23(6-4-12)17(24)15-9-18-16(25-15)13-8-19-22(2)10-13/h7-10,12H,3-6H2,1-2H3,(H,20,21).
What are the key properties of [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 356.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 127764086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).